Geometry & MOs

Info

ID:	156393
PubChem CID:	56370418
Reduced:	BrSN3O5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	4.81
IP(EA), eV:	-9.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC=CC(=C1)C(=O)NCC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations